(S)-Indobufen
(2S)-2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]butanoic acid
| Molecular Formula | C18H17NO3 |
|---|---|
| Molecular Weight | 295.3 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 57.6 A2 |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 295.12085 |
| Heavy Atoms | 22 |
| Complexity | 428.0 |
Chemical Identifiers
| CAS Number | 118289-97-7 |
|---|---|
| SMILES | CCC(C1=CC=C(C=C1)N2CC3=CC=CC=C3C2=O)C(=O)O |
| InChIKey | AYDXAULLCROVIT-HNNXBMFYSA-N |
📖 Product Overview
(S)-Indobufen (CAS: 118289-97-7) is a chemical compound with molecular formula C18H17NO3 and molecular weight 295.3 g/mol. Its IUPAC systematic name is (2S)-2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]butanoic acid.
AYDXAULLCROVIT-HNNXBMFYSA-N.
SMILES: CCC(C1=CC=C(C=C1)N2CC3=CC=CC=C3C2=O)C(=O)O.
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